SCHEMBL9904018

SCHEMBL9904018

Cn1c(=O)c2c(nc(Br)n2COCC[Si](C)(C)C)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
RXFP1 Q9HBX9 2/20 0.62
USP2 O75604 1/20 0.55
GAA P10253 3/20 0.54
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MLKL Q8NB16 1/20 0.52
TSHR P16473 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.47
HIF1A Q16665 2/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16076173 0.86 LMNA (0.53) ALDH1A1RXFP1USP2GAALMNA
SCHEMBL16122929 0.86 MLKL (0.53) ALDH1A1RXFP1USP2LMNASMN1; SMN2
SCHEMBL17609527 0.85 SMN1; SMN2 (0.57) ALDH1A1RXFP1USP2LMNASMN1; SMN2
SCHEMBL16076172 0.85 SMN1; SMN2 (0.48) ALDH1A1RXFP1USP2GAALMNA
SCHEMBL16029375 0.85 MLKL (0.52) ALDH1A1RXFP1USP2LMNASMN1; SMN2
SCHEMBL19560319 0.85 MLKL (0.52) ALDH1A1RXFP1USP2GAALMNA
SCHEMBL16028688 0.84 NPSR1 (0.53) ALDH1A1RXFP1USP2GAALMNA
SCHEMBL16079030 0.81 SMN1; SMN2 (0.45) ALDH1A1RXFP1USP2GAALMNA
SCHEMBL638535 0.80 MAPT (0.59) ALDH1A1USP2GAALMNASMN1; SMN2
SCHEMBL636243 0.79 LMNA (0.53) ALDH1A1LMNASMN1; SMN2TSHRHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
EP-2970316-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF Hydra Biosciences, Inc. (US) 2016-01-20 EP disclosed
WO-2014152287-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2015-04-23 WO disclosed
WO-2014152287-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2015-04-23 WO disclosed
WO-2014152287-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-25 WO disclosed
WO-2014152287-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-25 WO disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
EP-2649045-A2 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-10-16 EP disclosed
EP-2465859-A1 8-Triazolylxanthine derivatives, processes for their production and their use as adenosine receptor antagonists Life & Brain GmbH (DE) 2012-06-20 EP disclosed
WO-2012076466-A2 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 WO disclosed
WO-2012076974-A1 8-TRIAZOLYLXANTHINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS LIFE & BRAIN GMBH (DE) 2012-06-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ALDH1A1 1647/4885RXFP1 1171/4885USP2 4322/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ALDH1A1 1647/4885RXFP1 1171/4885USP2 4322/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.